Geometry & MOs

Info

ID:	422432
PubChem CID:	135117823
Reduced:	O3N5C21H33 (1)
Stoich.:	A3B5C21D33 (1)
Weight, g/mol:	304.124549
ΔH_f, kcal/mol:	-130.18
Dipole, Da:	4.76
IP(EA), eV:	-8.57(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-2-[[methyl-[(3-methylsulfanylphenyl)methyl]amino]methyl]-1H-pyridin-4-one

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@@H](C(=O)NCCCN(CCCC(=O)N1)CC2=CC=CC=N2)C(C)C

DOS

IR

Vibrations